Journal of Food Science and Technology

, Volume 54, Issue 3, pp 659–668 | Cite as

Evaluation of long-heating kinetic process of edible oils using ATR–FTIR and chemometrics tools

  • Marjan Mahboubifar
  • Bahram Hemmateenejad
  • Katayoun Javidnia
  • Saeed Yousefinejad
Original Article


Long thermal oxidative kinetic and stability of four different edible oils (colza, corn, frying, sunflower) from various brands were surveyed with the use of attenuated total reflectance–Fourier transform infrared spectroscopy (ATR–FTIR) combined with multivariate curve resolution-alternative least square (MCR-ALS). Sampling from the heated oils (at 170 °C) was performed each 3 h during a 36-h period. Changes in the ATR–FTIR spectra of the oil samples in the range of 4000–550 cm−1 were followed as a function of heating time. MCR-ALS was utilized to resolve the concentration and spectral profiles of three detected kinetic components. Three variations in resolved concentration profiles were related to the thermal-deduction of triacylglycerol of unsaturated acid, appearance of hydroperoxides form of triacylglycerols and generation of secondary oxidation products. The kinetic profiles of these species were dependent on the type of oil. The proposed method can define a new way to monitor the oils’ quality.


Edible oils Heating process Oxidative kinetic ATR–FTIR MCR-ALS 



This work is a part of the thesis of M. Mahboubifar. This study was supported by Shiraz University of Medical Sciences, vice chancellor for research (the Grant number: 6585).

Authors’ contribution

M. Mahboubifar did most of the work including collecting the data and running software. B. Hemmateenejad supervised the work and prepared the final edited version of the manuscript. K. Javidnia was the co-supervisor of the work. S. Yousefinad did parts of data analysis and prepared the initial version of the manuscript.

Compliance with ethical standards

Conflict of interest

The authors have nothing to disclose.

Supplementary material

13197_2017_2502_MOESM1_ESM.docx (1.7 mb)
Supplementary material 1 (DOCX 1710 kb)


  1. Armenta S, Garrigues S, de la Guardia M (2007) Determination of edible oil parameters by near infrared spectrometry. Anal Chim Acta 596:330–337. doi: 10.1016/j.aca.2007.06.028 CrossRefGoogle Scholar
  2. Bogomolov A, Hachey M (2007) Application of SIMPLISMA purity function for variable selection in multivariate regression analysis: a case study of protein secondary structure determination from infrared spectra. Chemom Intell Lab Syst 88:132–142. doi: 10.1016/j.chemolab.2006.07.006 CrossRefGoogle Scholar
  3. Christy AA, Egeberg PK (2006) Quantitative determination of saturated and unsaturated fatty acids in edible oils by infrared spectroscopy and chemometrics. Chemom Intell Lab Syst 82:130–136. doi: 10.1016/j.chemolab.2005.06.019 CrossRefGoogle Scholar
  4. de Juan A, Tauler R (2006) Multivariate Curve Resolution (MCR) from 2000: progress in concepts and applications. Crit Rev Anal Chem 36:163–176. doi: 10.1080/10408340600970005 CrossRefGoogle Scholar
  5. De Oliveira RR, De Lima KMG, De Juan A, Tauler R (2014) Application of correlation constrained multivariate curve resolution alternating least-squares methods for determination of compounds of interest in biodiesel blends using NIR and UV–visible spectroscopic data. Talanta 125:233–241. doi: 10.1016/j.talanta.2014.02.073 CrossRefGoogle Scholar
  6. Gemperline P (2006) Practical guide to chemometrics, 2nd edn. Taylor & Francis Group, Boca RatonCrossRefGoogle Scholar
  7. Gonçalves RP, Março PH, Valderrama P (2014) Thermal edible oil evaluation by UV–Vis spectroscopy and chemometrics. Food Chem 163:83–86. doi: 10.1016/j.foodchem.2014.04.109 CrossRefGoogle Scholar
  8. Hein M, Isengard H (1997) Determination of underivated fatty acids by HPLC. Z Lebensm Unters Forsch A. doi: 10.1007/s002170050105 Google Scholar
  9. Jaumot J, Gargallo R, de Juan A, Tauler R (2005) A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB. Chemom Intell Lab Syst 76:101–110. doi: 10.1016/j.chemolab.2004.12.007 CrossRefGoogle Scholar
  10. Javidnia K, Parish M, Karimi S, Hemmateenejad B (2013) Discrimination of edible oils and fats by combination of multivariate pattern recognition and FT-IR spectroscopy: a comparative study between different modeling methods. Spectrochim Acta Part A Mol Biomol Spectrosc 104:175–181. doi: 10.1016/j.saa.2012.11.067 CrossRefGoogle Scholar
  11. Karoui R, Downey G, Blecker C (2010) Mid-infrared spectroscopy coupled with chemometrics: a tool for the analysis of intact food systems and the exploration of their molecular structure-quality relationships—a review. Chem Rev 110:6144–6168. doi: 10.1021/cr100090k CrossRefGoogle Scholar
  12. Le Dréau Y, Dupuy N, Artaud J et al (2009a) Infrared study of aging of edible oils by oxidative spectroscopic index and MCR-ALS chemometric method. Talanta 77:1748–1756. doi: 10.1016/j.talanta.2008.10.012 CrossRefGoogle Scholar
  13. Le Dréau Y, Dupuy N, Gaydou V et al (2009b) Study of jojoba oil aging by FTIR. Anal Chim Acta 642:163–170. doi: 10.1016/j.aca.2008.12.001 CrossRefGoogle Scholar
  14. Luna AS, da Silva AP, Pinho JS et al (2015) A novel approach to discriminate transgenic from non-transgenic soybean oil using FT-MIR and chemometrics. Food Res Int 67:206–211. doi: 10.1016/j.foodres.2014.11.011 CrossRefGoogle Scholar
  15. Mannina L, Patumi M, Fiordiponti P et al (1999) Olive and hazelnut oils: a study by high-field 1H NMR and gas chromatography. Ital J Food Sci 11:139–149Google Scholar
  16. Moros J, Roth M, Garrigues S, de la Guardia M (2009) Preliminary studies about thermal degradation of edible oils through attenuated total reflectance mid-infrared spectrometry. Food Chem 114:1529–1536. doi: 10.1016/j.foodchem.2008.11.040 CrossRefGoogle Scholar
  17. Muik B, Lendl B, Molina-Díaz A, Ayora-Cañada MJ (2003) Direct, reagent-free determination of free fatty acid content in olive oil and olives by Fourier transform Raman spectrometry. Anal Chim Acta 487:211–220. doi: 10.1016/S0003-2670(03)00560-9 CrossRefGoogle Scholar
  18. Ng C-Y, Leong X-F, Masbah N et al (2014) Heated vegetable oils and cardiovascular disease risk factors. Vascul Pharmacol 61:1–9. doi: 10.1016/j.vph.2014.02.004 CrossRefGoogle Scholar
  19. Pinto RC, Locquet N, Eveleigh L, Rutledge DN (2010) Preliminary studies on the mid-infrared analysis of edible oils by direct heating on an ATR diamond crystal. Food Chem 120:1170–1177. doi: 10.1016/j.foodchem.2009.11.053 CrossRefGoogle Scholar
  20. Sinelli N, Cosio MS, Gigliotti C, Casiraghi E (2007) Preliminary study on application of mid infrared spectroscopy for the evaluation of the virgin olive oil “freshness”. Anal Chim Acta 598:128–134. doi: 10.1016/j.aca.2007.07.024 CrossRefGoogle Scholar

Copyright information

© Association of Food Scientists & Technologists (India) 2017

Authors and Affiliations

  • Marjan Mahboubifar
    • 1
    • 3
  • Bahram Hemmateenejad
    • 1
    • 2
  • Katayoun Javidnia
    • 1
  • Saeed Yousefinejad
    • 4
  1. 1.Medicinal and Natural Products Chemistry Research CenterShiraz University of Medical SciencesShirazIran
  2. 2.Chemistry DepartmentShiraz UniversityShirazIran
  3. 3.Student Research CommitteeShiraz University of Medical SciencesShirazIran
  4. 4.Research Center for Health Sciences, Department of Occupational Health Engineering, School of HealthShiraz University of Medical SciencesShirazIran

Personalised recommendations